1jjb

A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica
(See also AChE bivalent inhibitors (Part II))



PEG-SH-350 is an untypical acetylcholinesterase inhibitor. It consists of heptameric polyethylene glycol (PEG) with a thiol group (SH) at the terminus. The thiol group binds close to the catalytic anionic site (CAS) and the second terminus binds to the peripheral anionic site (PAS). PEG-SH-350 interacts with Torpedo californica acetylcholinesterase via a system of water molecules (represented by oxygens colored red). Two out of the seven PEG-SH-350 ethylene glycol units are in trans conformation (colored blue), while the others are in ±gauche conformation.

About this Structure
1JJB is a 1 chain structure of sequence from Torpedo californica. Full crystallographic information is available from OCA.

Additional Resources
For additional information, see: Alzheimer's Disease

Reference
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